(3S)-3-(2-phenylmethoxyethyl)piperidine

C14H21NO — CID 26192382

IUPAC(3S)-3-(2-phenylmethoxyethyl)piperidine
SMILESc1ccc(COCC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C14H21NO/c1-2-5-14(6-3-1)12-16-10-8-13-7-4-9-15-11-13/h1-3,5-6,13,15H,4,7-12H2/t13-/m0/s1
InChIKeyQBESGRLEWGZRJQ-ZDUSSCGKSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds5

About (3S)-3-(2-phenylmethoxyethyl)piperidine

(3S)-3-(2-phenylmethoxyethyl)piperidine (PubChem CID 26192382) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S)-3-(2-phenylmethoxyethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2-phenylmethoxyethyl)piperidine
PubChem CID26192382
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S)-3-(2-phenylmethoxyethyl)piperidine
SMILESc1ccc(COCC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C14H21NO/c1-2-5-14(6-3-1)12-16-10-8-13-7-4-9-15-11-13/h1-3,5-6,13,15H,4,7-12H2/t13-/m0/s1
InChIKeyQBESGRLEWGZRJQ-ZDUSSCGKSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
CID 86321802
3-(16-phenylmethoxyhexadecoxy)piperidine
CID 177224611
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
CID 107882752
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
N-phenyl-2-(2-piperidin-3-ylethoxy)acetamide
CID 62357691

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-phenylmethoxyethyl)piperidine?
The IUPAC name of (3S)-3-(2-phenylmethoxyethyl)piperidine (CID 26192382) is (3S)-3-(2-phenylmethoxyethyl)piperidine.
What is the SMILES notation for (3S)-3-(2-phenylmethoxyethyl)piperidine?
The canonical SMILES for (3S)-3-(2-phenylmethoxyethyl)piperidine is c1ccc(COCC[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-3-(2-phenylmethoxyethyl)piperidine?
The InChIKey is QBESGRLEWGZRJQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-5-14(6-3-1)12-16-10-8-13-7-4-9-15-11-13/h1-3,5-6,13,15H,4,7-12H2/t13-/m0/s1.
What are the key properties of (3S)-3-(2-phenylmethoxyethyl)piperidine?
(3S)-3-(2-phenylmethoxyethyl)piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-phenylmethoxyethyl)piperidine is sourced from PubChem (CID 26192382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).